SCHEMBL7136207

SCHEMBL7136207

CN1CCC(=C2c3ccccc3CCn3ncnc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.59
CHRM2 P08172 5/20 0.54
CHRM1 P11229 5/20 0.54
ADRA1A P35348 5/20 0.54
KCNH2 Q12809 5/20 0.54
HRH1 P35367 5/20 0.54
HTR1A P08908 4/20 0.54
HTR2A P28223 4/20 0.54
HTR2C P28335 4/20 0.54
HTR2B P41595 4/20 0.54
DRD2 P14416 4/20 0.54
OPRK1 P41145 3/20 0.54
DRD1 P21728 5/20 0.48
DRD3 P35462 5/20 0.48
ADRA2A P08913 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7141483 0.85 SETD7 (0.42) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7140423 0.83 SETD7 (0.43) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7142802 0.83 HRH1 (0.41) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7136262 0.82 PTAFR (0.43) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7140008 0.82 DRD2 (0.43) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7174262 0.82 PTAFR (0.43) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7136916 0.82 SETD7 (0.38) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7136762 0.81 HRH1 (0.64) CHRM2KCNH2HRH1HTR2AHTR2B
SCHEMBL7908815 0.81 GABRG2 (0.42) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7136431 0.80 DRD1 (0.46) SETD7HRH1DRD2DRD1DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP claimed
EP-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed